⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1072036 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL10862914 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL7651462 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL4103205 | 0.75 | — | — | |
| SCHEMBL1774032 | 0.75 | — | — | |
| SCHEMBL24211656 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL7268279 | 0.69 | ALDH1A1 (0.43) | — | |
| Thiourea SCHEMBL17260871 | 0.68 | — | — | |
| Thiourea SCHEMBL8177690 | 0.65 | EGLN3 (0.42) | — | |
| SCHEMBL9792782 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6340687-B1 | ELEVATE HIGH DENSITY LIPOPROTEIN CHOLESTEROL CONCENTRATION | AMERICAN HOME PRODUCTS CORPORATION | 2002-01-22 | — | — | US | disclosed |